# Details of computing
0: TPBUTR01.cif
1: TPBUTR10.cif
2: TUJMUG.cif


-------------------------------------

	0	1	2
0	0.0000	0.0934	19.1600
1	0.0934	0.0000	19.2297
2	19.1600	19.2297	0.0000